1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide

C21H16Cl2N2O2 — CID 109049517

IUPAC1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c1-25(16-6-3-2-4-7-16)21(27)15-12-10-14(11-13-15)20(26)24-18-9-5-8-17(22)19(18)23/h2-13H,1H3,(H,24,26)
InChIKeyBXDDPYVKBHRMCS-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.52
Rot. Bonds4

About 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide

1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109049517) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109049517
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c1-25(16-6-3-2-4-7-16)21(27)15-12-10-14(11-13-15)20(26)24-18-9-5-8-17(22)19(18)23/h2-13H,1H3,(H,24,26)
InChIKeyBXDDPYVKBHRMCS-UHFFFAOYSA-N
XLogP5.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
3-N-(2-chlorophenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108073
N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953239
1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057070
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080
4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide
CID 67862307
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide (CID 109049517) is 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide is CN(C(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1.
What is the InChIKey of 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is BXDDPYVKBHRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c1-25(16-6-3-2-4-7-16)21(27)15-12-10-14(11-13-15)20(26)24-18-9-5-8-17(22)19(18)23/h2-13H,1H3,(H,24,26).
What are the key properties of 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 399.28 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109049517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).